SCHEMBL4939741

SCHEMBL4939741

C#C[C@]1(O)[C@@H](O)C[C@H]2[C@@H]3CCC4[C@H](F)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.39
ESR1 P03372 1/20 0.38
AR P10275 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 3/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SERPINA6 P08185 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 1/20 0.36
G6PD P11413 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4943101 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4945808 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4944967 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4942860 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4939749 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4941934 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4939754 1.00 SHBG (0.39) SHBGESR1ARESR2LMNA
SCHEMBL4945380 0.88 ESR1 (0.40) SHBGESR1ARESR2LMNA
SCHEMBL4945781 0.88 ESR1 (0.40) SHBGESR1ARESR2LMNA
SCHEMBL4938549 0.88 ESR1 (0.40) SHBGESR1ARESR2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130164780-A1 Drug Identification Method BIOVIE INC. 2013-06-27 US disclosed
US-8354396-B2 Identifying compounds that can treat autoimmune conditions; ulcerative colitis, inflammatory bowel disease, Crohn's disease, psoriasis, actinic keratosis, arthritis, multiple sclerosis, optic neuritis Harbor Therapeutics, Inc. (US) 2013-01-15 US disclosed
US-8217025-B2 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance Harbor Therapeutics, Inc. (US) 2012-07-10 US disclosed
US-20080221074-A1 Drug Screen and Treatment Method BIOVIE INC. 2008-09-11 US disclosed
US-20080153792-A1 Drug Identification and Treatment Method BIOVIE INC. 2008-06-26 US disclosed
US-20080153797-A1 Drug Identification and Treatment Method BIOVIE INC. 2008-06-26 US disclosed
US-20080146532-A1 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance BIOVIE INC. 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080153792-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A SHBG 350/4885ESR1 93/4885AR 457/4885
US-20080146532-A1 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance HSD17B1, HSD17B11, HSD3B2 SHBG 65/4885ESR1 96/4885AR 272/4885
US-20080221074-A1 Drug Screen and Treatment Method HSD3B2, HSD17B2, HSD3B1 SHBG 78/4885ESR1 59/4885AR 185/4885
US-20080153797-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A SHBG 343/4885ESR1 90/4885AR 450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.